Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy
文献类型：期刊论文
| 作者 | Qiu, Shi1,2; Li, Guanna1,2; Wang, Peng1,2; Jia, Guoqing1; Feng, Zhaochi1; Li, Can1 |
| 刊名 | journal of raman spectroscopy
 |
| 出版日期 | 2012-04-01 |
| 卷号 | 43期号:4页码:503-513 |
| 关键词 | Raman optical activity lactate hydrogen bonding homochiral dimers |
| 产权排序 | 1,1 |
| 通讯作者 | 冯兆池 ; 李灿 |
| 英文摘要 | spectroscopic analysis of homochiral dimerization is important for the understanding of the homochirality of life and enantioselective catalysis. in this paper, (s)-methyl lactate and related molecules were studied to provide detailed structural information on hydrogen bonding in homochiral dimers of chiral a-hydroxyesters through the experimental and theoretical study of raman optical activity. different homochiral dimers can be distinguished by comparing their simulated raman optical activity spectra with the experimental results. hydrogen bonding motions are decoded with the aid of vibrational motion analysis, which are apparently involved in vibrational motions below 800?cm1. a common feature related to the chain-bending mode also indicates the absolute configuration of methyl lactate and related molecules. the differing behavior of electric dipoleelectric quadrupole invariants (beta(a)2) compared with the electric dipolemagnetic dipole invariant (beta(g')2), suggests that the intermolecular hydrogen bonding motion behaves differently from the intramolecular one in the asymmetric molecular electric and magnetic fields. these results may help understand hydrogen-bonded self-recognition and other dynamical features in chiral recognition. copyright (c) 2011 john wiley & sons, ltd. |
| WOS标题词 | science & technology ; technology |
| 学科主题 | 物理化学 |
| 类目[WOS] | spectroscopy |
| 研究领域[WOS] | spectroscopy |
| 关键词[WOS] | vibrational circular-dichroism ; correlated molecular calculations ; gaussian-basis sets ; methyl lactate ; chiral recognition ; globular-proteins ; green solvent ; ethyl lactate ; lactic-acid ; gas-phase |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000302952800007 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/118082]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Qiu, Shi,Li, Guanna,Wang, Peng,et al. Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy[J]. journal of raman spectroscopy,2012,43(4):503-513. |
| APA | Qiu, Shi,Li, Guanna,Wang, Peng,Jia, Guoqing,Feng, Zhaochi,&Li, Can.(2012).Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy.journal of raman spectroscopy,43(4),503-513. |
| MLA | Qiu, Shi,et al."Hydrogen bonding in homochiral dimers of hydroxyesters studied by Raman optical activity spectroscopy".journal of raman spectroscopy 43.4(2012):503-513. |
入库方式： OAI收割
来源：大连化学物理研究所
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